CID 155858707

3-(acetylsulfanyl)cyclobutan-1-one

Structural Information

Molecular Formula
C6H8O2S
SMILES
CC(=O)SC1CC(=O)C1
InChI
InChI=1S/C6H8O2S/c1-4(7)9-6-2-5(8)3-6/h6H,2-3H2,1H3
InChIKey
RRFIIWUSJJGBDZ-UHFFFAOYSA-N
Compound name
S-(3-oxocyclobutyl) ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.0245 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.031776 122.9
[M+Na]+ 167.013718 128.8
[M-H]- 143.017224 126.6
[M+NH4]+ 162.058323 138.2
[M+K]+ 182.987658 130.9
[M+H-H2O]+ 127.021760 112.5
[M+HCOO]- 189.022701 139.3
[M+CH3COO]- 203.038351 176.1
[M+Na-2H]- 164.999166 124.5
[M]+ 144.02395142 132.9
[M]- 144.02504858 132.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.